Bacoside A

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Description

Bacoside A has a possible anticancer activity that could be inducing cell cycle arrest and apoptosis through Notch pathway in GBM in vitro. It exerts cytoprotective efficacy by attenuation of ROS generated through oxidative stress by an increase in the concentration of antioxidant enzymes and sustain membrane integrity which leads to restoring the damage caused by tBHP. Bacoside A can able to inhibit the progression of Experimental Autoimmune Encephalomyelitis (EAE) may be by the inhibition of inflammatory cytokines and chemokine evolved during active EAE. Bacoside A also has vasorelaxation.

CAS Number

11028-00-5

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

768.98

Molecular Formula

C41H68O13

Notes

Research use only, not for human use.

Receptor

MMP | Dopamine Receptor | ROS | NOS | TNF

Chemical Information

Bacoside A

Bacoside a is a triterpenoid saponin.

CAS Number	11028-00-5
PubChem CID	92043183
IUPAC Name	(5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Molecular Formula	C41H68O13
Molecular Weight	769.0
XLogP	2.8
Topological Polar Surface Area	216
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Heavy Atom Count	54
Formal Charge	0
Complexity	1390

SMILES

CC(=CCC[C@@](C)([C@@H]1[C@H]2CC[C@H]3[C@]([C@@]2(CC1=O)C)(CC[C@@H]4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)CO)C)O)C

InChI

InChI=1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3/t22-,24+,25-,26+,27+,28?,29-,30+,31-,32-,33-,34-,35+,36+,38-,39-,40+,41-/m1/s1

InChIKey

LKCTWIIDXXXXAR-CYGHALRTSA-N

Chemical Structure

2D Structure

CAS: 11028-00-5

CID: 92043183

Formula: C41H68O13

MW: 769.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	769.0
XLogP3	2.8
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Exact Mass	768.46599222
Monoisotopic Mass	768.46599222
Topological Polar Surface Area	216 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1390
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
M24339-01	Bacopaside II
M31861-01	Bacopaside X
M32025-01	Bacopaside IV
M24340-01	Bacopaside I
M32234-01	Bacopaside N1
M31860-01	Bacopaside N2
M31774-01	Bacopaside V

Alternative Products

Catalog	Name
BUP20461-01	Bacoside A
HY-N1989A-01	Bacoside A (mixture)
MBS5760168	Bacoside A3
GTR19221969-01	Bacoside A1
MBS5800866	Bacoside A2
HY-N5064R	Bacoside A3 (Standard)

Bacoside A

Chemical Information

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